Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5557127

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(N(C)c2cc[nH]n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557127
Phase Preclinical
Structure Type MOL
InChI Key LPJJEBVSOGPSQH-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
1.23
ALogP
8
HBA
1
HBD
104.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N6O3S
MW 392.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
38299539 10.1021/acs.jmedchem.3c01917 ATR/ATRIP 1

Data from ChEMBL 36 via Core Engine